2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

C12H18N2OS — CID 106477685

IUPAC2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-15-8-10-7-11(16)14-12(13-10)9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyTXRMJCLMUNAWBK-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.33
Rot. Bonds3

About 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477685) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477685
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-15-8-10-7-11(16)14-12(13-10)9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyTXRMJCLMUNAWBK-UHFFFAOYSA-N
XLogP3.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475763
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
2-(4,4-dimethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477592
2-(2-bicyclo[2.2.1]heptanyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477599
6-(methoxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477603
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
2-(cyclopropylmethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477623
2-[cyclohexyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477642
6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477666
6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477687
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477685) is 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is TXRMJCLMUNAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-8-10-7-11(16)14-12(13-10)9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).